2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone

C8H7BrN4O — CID 83844054

IUPAC2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone
SMILESNCC(=O)c1cnc2ncc(Br)n2c1
InChIInChI=1S/C8H7BrN4O/c9-7-3-12-8-11-2-5(4-13(7)8)6(14)1-10/h2-4H,1,10H2
InChIKeyAOEQPWCGGDNTFO-UHFFFAOYSA-N
MW255.07 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone

2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone (PubChem CID 83844054) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone
PubChem CID83844054
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone
SMILESNCC(=O)c1cnc2ncc(Br)n2c1
InChIInChI=1S/C8H7BrN4O/c9-7-3-12-8-11-2-5(4-13(7)8)6(14)1-10/h2-4H,1,10H2
InChIKeyAOEQPWCGGDNTFO-UHFFFAOYSA-N
XLogP0.63
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 84767265
2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol
CID 83844192
2-amino-1-(2-methylpyrimidin-5-yl)ethanone
CID 82594840
2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 83844753
1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)-N,N-dimethylmethanamine
CID 83919938
2-amino-1-(1-tert-butylpyrazol-4-yl)ethanone
CID 84732384
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
ethyl 3-bromo-8-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 123406493
2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
CID 88879940
1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone
CID 118441490
2-amino-1-(2-bromo-4-pyridinyl)ethanone;hydrobromide
CID 170860208
1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone
CID 84708049

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone (CID 83844054) is 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone is NCC(=O)c1cnc2ncc(Br)n2c1.
What is the InChIKey of 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone?
The InChIKey is AOEQPWCGGDNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-7-3-12-8-11-2-5(4-13(7)8)6(14)1-10/h2-4H,1,10H2.
What are the key properties of 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone?
2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone has a molecular weight of 255.07 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 83844054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).